5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C26H23N5O4 — CID 134047966

IUPAC5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NC4CCCc5[nH]c(=O)c(C(N)=O)cc54)cc3)o2)c1
InChIInChI=1S/C26H23N5O4/c1-14-4-2-5-17(12-14)26-31-30-25(35-26)16-10-8-15(9-11-16)23(33)28-20-6-3-7-21-18(20)13-19(22(27)32)24(34)29-21/h2,4-5,8-13,20H,3,6-7H2,1H3,(H2,27,32)(H,28,33)(H,29,34)
InChIKeyANQPDJLAFFYYAM-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.31
Rot. Bonds5

About 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 134047966) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID134047966
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NC4CCCc5[nH]c(=O)c(C(N)=O)cc54)cc3)o2)c1
InChIInChI=1S/C26H23N5O4/c1-14-4-2-5-17(12-14)26-31-30-25(35-26)16-10-8-15(9-11-16)23(33)28-20-6-3-7-21-18(20)13-19(22(27)32)24(34)29-21/h2,4-5,8-13,20H,3,6-7H2,1H3,(H2,27,32)(H,28,33)(H,29,34)
InChIKeyANQPDJLAFFYYAM-UHFFFAOYSA-N
XLogP3.31
TPSA143.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 134047966) is 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)NC4CCCc5[nH]c(=O)c(C(N)=O)cc54)cc3)o2)c1.
What is the InChIKey of 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is ANQPDJLAFFYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-14-4-2-5-17(12-14)26-31-30-25(35-26)16-10-8-15(9-11-16)23(33)28-20-6-3-7-21-18(20)13-19(22(27)32)24(34)29-21/h2,4-5,8-13,20H,3,6-7H2,1H3,(H2,27,32)(H,28,33)(H,29,34).
What are the key properties of 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 134047966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).